ethyl 4-[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-4-(4-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H38N3O4+ MolecularWeight: 420.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H37N3O4/c1-3-29-22-7-5-19(6-8-22)17-25-14-15-26(18-21(25)11-16-27)20-9-12-24(13-10-20)23(28)30-4-2/h5-8,20-21,27H,3-4,9-18H2,1-2H3/p+1/t21-/m0/s1